Anton: A Special-Purpose Machine That Achieves a Hundred-Fold Speedup in Biomolecular Simulations
NC State1 HN recommender · recommended in 1 month, 2014–2025
lecture · intermediate · 2014–2025 on HN
David Shaw of D. E. Shaw Research presents Anton, a special-purpose machine that speeds up biomolecular simulations about a hundred-fold. The lecture covers molecular dynamics and how simulation helps understand how drugs bind.
HN points to it as an accessible, interesting talk on molecular dynamics and simulation-based drug discovery.
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4 comments from Hacker News
There is brilliant video by the hedge fund manager DE Shaw about molecular dynamics simulation. Its very accessible and I found it very interesting — ▶ this video
> What do you mean by fundamental AI research? Coming up with new/original models that solve the same exact problems that people are trying to solve with neural networks (computer vision, language translation, image generation etc) hopefully that are better performing & cheaper computationally. > What kind of computational model? I think answering that question would be what the researcher in this field is trying todo. I think a place to start would be exploring abandoned AI strategies like Genetics Algorithms & Markov Logic >What are some practical applications of complex systems? - Modeling Financial Markets [1] - Drug discovery via Molecular Dynamics Simulations [2] - Urban Planning [3] - Modeling Epidemics [4] - Cosmology - Computer Graphics - Much more .... [1]: link [2]: ▶ this video [3]: link [4]: link If interested, subscribe to these podcasts. 1: Simplifying Complexity: link 2: Complexity: link
There are also some more recent academic talks of his on youtube, mostly focused on his bio-informatics research. E.g. ▶ this video
I'm not giving you what you want, but here's a visual example of using a computational microscope to understand how drug actually works and finds its binding site: ▶ this video If you can't see a difference between that and say, X-Ray crystallography then well..